CID 830056

314745-61-4

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NN)C
InChI
InChI=1S/C14H16N2O5/c1-3-19-14(18)13-8(2)21-11-5-4-9(6-10(11)13)20-7-12(17)16-15/h4-6H,3,7,15H2,1-2H3,(H,16,17)
InChIKey
GGLMCLGNPLYWCE-UHFFFAOYSA-N
Compound name
ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.113206 164.9
[M+Na]+ 315.095148 173.0
[M-H]- 291.098654 170.5
[M+NH4]+ 310.139753 181.4
[M+K]+ 331.069088 172.5
[M+H-H2O]+ 275.103190 158.2
[M+HCOO]- 337.104131 189.7
[M+CH3COO]- 351.119781 206.0
[M+Na-2H]- 313.080596 168.5
[M]+ 292.10538142 171.2
[M]- 292.10647858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.